2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide

C11H15N3O — CID 106384976

IUPAC2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCCCC(C#N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H15N3O/c1-2-3-10(6-12)11(15)14-8-9-4-5-13-7-9/h4-5,7,10,13H,2-3,8H2,1H3,(H,14,15)
InChIKeyAWWYZVRKPDQIKD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds5

About 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide

2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide (PubChem CID 106384976) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
PubChem CID106384976
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCCCC(C#N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H15N3O/c1-2-3-10(6-12)11(15)14-8-9-4-5-13-7-9/h4-5,7,10,13H,2-3,8H2,1H3,(H,14,15)
InChIKeyAWWYZVRKPDQIKD-UHFFFAOYSA-N
XLogP1.57
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
CID 64530573
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027
3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384852
2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
CID 62056893
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 115188874
2-cyano-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384971
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The IUPAC name of 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide (CID 106384976) is 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The canonical SMILES for 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide is CCCC(C#N)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The InChIKey is AWWYZVRKPDQIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-10(6-12)11(15)14-8-9-4-5-13-7-9/h4-5,7,10,13H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide?
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide has a molecular weight of 205.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106384976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).